|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
182
Total Number of Articles : 217
|
| PubChem |
5717801
|
| Molecular Formula |
C21H17Cl3N4OS |
| SMILES |
C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3 |
| InChI |
InChI=1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/b12-11+ |
| synonyms |
- salubrinal
- 405060-95-9
- J8PSF5Z8KJ
- N-(2,2,2-trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide
- (E)-N-(2,2,2-Trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide
- 304475-63-6
- (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide
- (2E)-3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
- Salubrinal?
- (2E)-3-PHENYL-N-(2,2,2-TRICHLORO-1-(((8-QUINOLINYLAMINO)THIOXOMETHYL)AMINO)ETHYL)-2-PROPENAMIDE
- (E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
- UNII-J8PSF5Z8KJ
- 3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide
- C21H17N4OSCl3
- CHEMBL180127
- SCHEMBL6477826
- SCHEMBL6477833
- SCHEMBL17360638
- CHEBI:91873
- DTXSID70420852
- CHEBI:131923
- LCOIAYJMPKXARU-VAWYXSNFSA-N
- HMS3413G22
- HMS3677G22
- BCP06507
- EX-A2153
- HB0573
- MFCD00548612
- s2923
- STL253110
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| Properties |
| Property |
Value |
| MW |
479.8 g/mol |
| HBD |
3 |
| HBA |
3 |
| Rotatable Bond Count |
5 |
| Exact Mass |
478.018865 g/mol |
| Monoisotopic Mass |
478.018865 g/mol |
| Heavy Atom Count |
30 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
622 |
| xlogp |
5.2 |
| Topological Polar Surface Area |
98.1 |
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